Cas no 188781-17-1 (2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid)

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid structure
188781-17-1 structure
Product Name:2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CAS No:188781-17-1
MF:C6H2ClF3N2O2
MW:226.540490627289
CID:115399
PubChem ID:10823150
Update Time:2025-04-18

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
    • 2-chloro-4-(trifluoromethyl)-5-Pyrimidinecarboxylic acid
    • 4-methyl-2-hydroxy-pyrimidine-5-carboxylic acid
    • 5-Pyrimidinecarboxylicacid, 2-chloro-4-(trifluoromethyl)-
    • 2-chloro-4-trifluoromethylpyrimidine-5-carboxylic acid
    • AB53774
    • AG-E-03047
    • AK-28597
    • ANW-72741
    • CTK0H1381
    • HP22944
    • 188781-17-1
    • AC-27631
    • DTXSID70445404
    • 4-methyl-2-hydroxy-pyrimidine-5-carboxylicacid
    • W-205774
    • CS-0328431
    • SCHEMBL480176
    • AKOS016007676
    • MFCD09863189
    • 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylicAcid
    • FT-0733462
    • STL557649
    • DB-065661
    • BBL103839
    • MDL: MFCD09863189
    • Inchi: 1S/C6H2ClF3N2O2/c7-5-11-1-2(4(13)14)3(12-5)6(8,9)10/h1H,(H,13,14)
    • InChI Key: MAIWNYOADJRNOB-UHFFFAOYSA-N
    • SMILES: ClC1=NC=C(C(=O)O)C(C(F)(F)F)=N1

Computed Properties

  • Exact Mass: 154.03788
  • Monoisotopic Mass: 225.9756895g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 236
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.6
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 485.2±37.0 °C at 760 mmHg
  • Flash Point: 247.2±26.5 °C
  • PSA: 83.31
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

2-Chloro-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Security Information

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